1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide

C25H33FN2O — CID 54752459

IUPAC1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H33FN2O/c1-3-25(4-2,22-10-12-23(26)13-11-22)19-27-24(29)21-14-16-28(17-15-21)18-20-8-6-5-7-9-20/h5-13,21H,3-4,14-19H2,1-2H3,(H,27,29)
InChIKeySKRJUTMVRJHHAY-UHFFFAOYSA-N
MW396.55 g/mol
LogP4.91
Rot. Bonds8

About 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide

1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide (PubChem CID 54752459) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide
PubChem CID54752459
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC Name1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H33FN2O/c1-3-25(4-2,22-10-12-23(26)13-11-22)19-27-24(29)21-14-16-28(17-15-21)18-20-8-6-5-7-9-20/h5-13,21H,3-4,14-19H2,1-2H3,(H,27,29)
InChIKeySKRJUTMVRJHHAY-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide (CID 54752459) is 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide is CCC(CC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide?
The InChIKey is SKRJUTMVRJHHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O/c1-3-25(4-2,22-10-12-23(26)13-11-22)19-27-24(29)21-14-16-28(17-15-21)18-20-8-6-5-7-9-20/h5-13,21H,3-4,14-19H2,1-2H3,(H,27,29).
What are the key properties of 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide?
1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide has a molecular weight of 396.55 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 54752459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).